[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea

C16H23F3N4O2 — CID 151612984

IUPAC[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(CNCCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)14-10-13(22-15(20)24)3-2-12(14)11-21-4-1-5-23-6-8-25-9-7-23/h2-3,10,21H,1,4-9,11H2,(H3,20,22,24)
InChIKeyQMXAZMWCABONLW-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.01
Rot. Bonds7

About [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea

[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea (PubChem CID 151612984) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea
PubChem CID151612984
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(CNCCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)14-10-13(22-15(20)24)3-2-12(14)11-21-4-1-5-23-6-8-25-9-7-23/h2-3,10,21H,1,4-9,11H2,(H3,20,22,24)
InChIKeyQMXAZMWCABONLW-UHFFFAOYSA-N
XLogP2.01
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[(3-morpholin-4-ylpropylamino)methyl]benzoic acid
CID 103237317
1-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46889204
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
CID 91873507
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-(3-morpholin-4-ylpropyl)-2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111097719
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166383902
3-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide;2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 162621508
4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156563791
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209

Frequently Asked Questions

What is the IUPAC name of [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea (CID 151612984) is [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea is NC(=O)Nc1ccc(CNCCCN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea?
The InChIKey is QMXAZMWCABONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)14-10-13(22-15(20)24)3-2-12(14)11-21-4-1-5-23-6-8-25-9-7-23/h2-3,10,21H,1,4-9,11H2,(H3,20,22,24).
What are the key properties of [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea?
[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea has a molecular weight of 360.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 151612984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).